SCHEMBL2852241

SCHEMBL2852241

O=C(NCc1ccc(Cl)c(Cl)c1)Oc1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
P2RX7 Q99572 1/20 0.52
TSHR P16473 2/20 0.46
SMO Q99835 7/20 0.45
CCR1 P32246 7/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2862714 0.93 TSHR (0.46) MAPK1P2RX7TSHRSMOCCR1
SCHEMBL2858209 0.92 CCR1 (0.48) MAPK1P2RX7TSHRCCR1SMN1; SMN2
SCHEMBL2859307 0.91 TSHR (0.46) MAPK1P2RX7TSHRCCR1SMN1; SMN2
SCHEMBL2855493 0.91 P2RX7 (0.48) MAPK1P2RX7SMOCCR1
SCHEMBL2856625 0.90 TSHR (0.48) MAPK1P2RX7TSHRSMOCCR1
SCHEMBL2850425 0.89 P2RX7 (0.49) MAPK1P2RX7SMOCCR1
SCHEMBL2856212 0.88 CCR1 (0.47) MAPK1P2RX7TSHRCCR1SMN1; SMN2
SCHEMBL2859091 0.86 CCR1 (0.46) MAPK1P2RX7SMOCCR1
SCHEMBL2863210 0.85 CCR1 (0.50) MAPK1P2RX7SMOCCR1
SCHEMBL2855710 0.85 LMNA (0.46) MAPK1P2RX7SMOCCR1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed